Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70ea53e4359aa606d8f88c8211bcfadb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.089,
"b": 60.381,
"c": 79.426,
"alpha": 90.00,
"beta": 90.08,
"gamma": 90.00
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.650],
"number_observations_unique": 127956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 18540,
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.079
},
{
"type": "R(meas)",
"value": 1.186
},
{
"type": "R(pim)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.493
}
]
},
{
"resolution_limits": [29.040,9.030],
"number_observations": 2970,
"number_observations_unique": 426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}